Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: USPP Element: Ge Functional: LDA Suggested minimum cutoff for wavefunctions: 38. Ry Suggested minimum cutoff for charge density: 237. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.2000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 4S 1 0 2.00 1.800 2.100 -0.870548 4P 2 1 2.00 2.100 2.200 -0.301855 4P 2 1 0.00 2.100 2.200 -0.287702 3D 3 2 4.00 1.500 1.800 -2.185666 3D 3 2 6.00 1.500 1.800 -2.142553 Generation configuration: 4S 1 0 2.00 1.800 2.100 -0.870546 4S 1 0 0.00 1.400 2.100 3.100000 4P 2 1 2.00 2.100 2.200 -0.301856 4P 2 1 0.00 2.100 2.200 -0.287701 4P 2 1 0.00 1.400 2.200 6.300000 4P 2 1 0.00 1.400 2.200 6.300000 3D 3 2 4.00 1.500 1.800 -2.185666 3D 3 2 6.00 1.500 1.800 -2.142553 3D 3 2 0.00 1.500 1.800 -0.400000 3D 3 2 0.00 1.500 1.800 -0.400000 Pseudization used: troullier-martins title='Ge', zed=32., rel=2, config='[Ar] 3d10.0 4s2.0 4p2.0', iswitch=3, dft='LDA' / &inputp pseudotype=3, file_pseudopw='Ge.rel-pz-dn-rrkjus_psl.0.2.2.UPF', author='ADC', lloc=-1, rcloc=2.2, which_augfun='PSQ', rmatch_augfun=1.3, nlcc=.true., new_core_ps=.true., rcore=0.9, tm=.true. / 6 4S 1 0 2.00 0.00 1.80 2.10 0.0 4S 1 0 0.00 3.10 1.40 2.10 0.0 4P 2 1 2.00 0.00 2.10 2.20 0.0 4P 2 1 0.00 6.30 1.40 2.20 0.0 3D 3 2 10.00 0.00 1.50 1.80 0.0 3D 3 2 0.00 -0.40 1.50 1.80 0.0 2.849631142357863E-005 2.885475089590694E-005 2.921769898176819E-005 2.958521239253919E-005 2.995734855293812E-005 3.033416560999715E-005 3.071572244214808E-005 3.110207866842223E-005 3.149329465776595E-005 3.188943153847358E-005 3.229055120773866E-005 3.269671634132558E-005 3.310799040336282E-005 3.352443765625928E-005 3.394612317074556E-005 3.437311283604119E-005 3.480547337015010E-005 3.524327233028539E-005 3.568657812342523E-005 3.613546001700181E-005 3.658998814972420E-005 3.705023354253790E-005 3.751626810972190E-005 3.798816467012546E-005 3.846599695854628E-005 3.894983963725155E-005 3.943976830764420E-005 3.993585952207576E-005 4.043819079580775E-005 4.094684061912375E-005 4.146188846959348E-005 4.198341482449146E-005 4.251150117337168E-005 4.304623003080053E-005 4.358768494924996E-005 4.413595053215255E-005 4.469111244712108E-005 4.525325743933424E-005 4.582247334509072E-005 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